Geometry & MOs

Info

ID:	129050
PubChem CID:	51068121
Reduced:	ClSO3N5C27H30 (1)
Stoich.:	ABC3D5E27F30 (1)
Weight, g/mol:	567.180395
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	5.63
IP(EA), eV:	-8.39(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[3-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)CN(CCN4CCOCC4)C(=O)C5=CC=CS5

DOS

IR

Vibrations