Geometry & MOs

Info

ID:	290717
PubChem CID:	109827544
Reduced:	BrISO3N4C17H28 (1)
Stoich.:	ABCD3E4F17G28 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	6.12
IP(EA), eV:	-9.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(2-nitroanilino)ethyl]guanidine

Drug info:

PubChemData

Smile

CC(CCS(=O)(=O)C)NC(=NC)NCCCNC(=O)C1=CC=C(C=C1)Br.I

DOS

IR

Vibrations