Geometry & MOs

Info

ID:	147794
PubChem CID:	53787452
Reduced:	S3N4O4C22H26 (1)
Stoich.:	A3B4C4D22E26 (1)
Weight, g/mol:	311.3552
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	7.82
IP(EA), eV:	-8.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-6-pentyldodecan-6-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N3C=C4C=CSC4=C3O

DOS

IR

Vibrations