Geometry & MOs

Info

ID:

162308

PubChem CID:

57394252

Reduced:

N17O34C79H107 (1)

Stoich.:

A17B34C79D107 (1)

Weight, g/mol:

335.152144

ΔHf, kcal/mol:

-1480.96

Dipole, Da:

18.82

IP(EA), eV:

 -8.91(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-6-methyl-2-oxobenzo[h]chromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N

DOS

IR

Vibrations