Geometry & MOs

Info

ID:	313214
PubChem CID:	126612611
Reduced:	SN5O7C43H67 (1)
Stoich.:	AB5C7D43E67 (1)
Weight, g/mol:	276.160456
ΔH_f, kcal/mol:	-315.28
Dipole, Da:	9.87
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dibutyl-2-(2-chloroethyl)propanediamide

Drug info:

PubChemData

Smile

CCC/C=C/CN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OCC)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations