Geometry & MOs

Info

ID:	175376
PubChem CID:	75891871
Reduced:	S2N4O4C21H30 (1)
Stoich.:	A2B4C4D21E30 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-140.89
Dipole, Da:	8.12
IP(EA), eV:	-9.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl) 2-benzylsulfanylpropanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC(=O)CC2=CSC(=N2)NC(=O)C(C)C

DOS

IR

Vibrations