Geometry & MOs

Info

ID:

162087

PubChem CID:

57393581

Reduced:

SN25O29C78H133 (1)

Stoich.:

AB25C29D78E133 (1)

Weight, g/mol:

442.215095

ΔHf, kcal/mol:

-1453.93

Dipole, Da:

7.2

IP(EA), eV:

 -9.35(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CSCC(=O)N)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations