Geometry & MOs

Info

ID:	302012
PubChem CID:	123109973
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-129.57
Dipole, Da:	2.11
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-tert-butylanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CS(=O)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations