Geometry & MOs

Info

ID:	49822
PubChem CID:	11533917
Reduced:	ClN2O3C12H13 (2)
Stoich.:	AB2C3D12E13 (2)
Weight, g/mol:	536.141567
ΔH_f, kcal/mol:	-211.51
Dipole, Da:	7.23
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]butanamide

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)NC[C@@H](C(=O)O)NC(=O)C2=C(C=C(C=C2Cl)CNC(=O)/C=C/C3=CC=CO3)Cl

DOS

IR

Vibrations