Geometry & MOs

Info

ID:	79742
PubChem CID:	49830220
Reduced:	O2S2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	533.238199
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	9.71
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylphenyl)-2-[[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]methyl]butyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CCNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations