Geometry & MOs

Info

ID:	160236
PubChem CID:	57309582
Reduced:	S2N5O5C25H29 (1)
Stoich.:	A2B5C5D25E29 (1)
Weight, g/mol:	454.273262
ΔH_f, kcal/mol:	-127.65
Dipole, Da:	8.33
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-butan-2-yl-4-methylimidazol-1-yl)methyl]phenyl]-2-(2-methylpyrrol-1-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC2CCCCC2(C3=CN4C=CN=C4C=C3)C(=S)NC

DOS

IR

Vibrations