Geometry & MOs

Info

ID:	187679
PubChem CID:	77608530
Reduced:	ClSN2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	525.214282
ΔH_f, kcal/mol:	55.1
Dipole, Da:	3.21
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-(methylamino)-4-oxobutyl]phenyl]-N,5-dimethyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C=CC2=CC(=CC=C2)C(C3=CC=CS3)N.Cl

DOS

IR

Vibrations