Geometry & MOs

Info

ID:	445199
PubChem CID:	135264889
Reduced:	PN4O7C27H33 (1)
Stoich.:	AB4C7D27E33 (1)
Weight, g/mol:	535.114411
ΔH_f, kcal/mol:	-305.28
Dipole, Da:	3.87
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-4-(3,5-difluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]butanamide

Drug info:

PubChemData

Smile

CCNC(C)OP(=O)(O)OCN1C(=O)CCC2=C1N=CC(=C2)/C=C/C(=O)N(C)CC3=C(C4=CC=CC=C4O3)C

DOS

IR

Vibrations