Geometry & MOs

Info

ID:	191464
PubChem CID:	78149096
Reduced:	NSO6C17H25 (1)
Stoich.:	ABC6D17E25 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	3.76
IP(EA), eV:	-7.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methoxyphenyl)phenyl]but-2-enyl carbamimidothioate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)NC(COCC1=CC=CC=C1)C2C(C(C(=O)O2)O)O

DOS

IR

Vibrations