Geometry & MOs

Info

ID:	89404
PubChem CID:	49961464
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	555.161011
ΔH_f, kcal/mol:	-153.48
Dipole, Da:	7.61
IP(EA), eV:	-9.11(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)NCC(C)NC(=O)COC2=CC=CC(=C2C)C)C

DOS

IR

Vibrations