Geometry & MOs

Info

ID:	214367
PubChem CID:	84981686
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	4.13
IP(EA), eV:	-8.8(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethoxybenzoyl)amino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations