Geometry & MOs

Info

ID:	105931
PubChem CID:	50143251
Reduced:	SO3N6C23H32 (1)
Stoich.:	AB3C6D23E32 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	9.36
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoyl-5-chlorophenyl)-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NN=C(S3)CC)C

DOS

IR

Vibrations