Geometry & MOs

Info

ID:	180320
PubChem CID:	76615626
Reduced:	BN6O7C31H47 (1)
Stoich.:	AB6C7D31E47 (1)
Weight, g/mol:	469.247775
ΔH_f, kcal/mol:	-261.89
Dipole, Da:	4.47
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2-oxopyridin-1-yl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]acetamide

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)C=CC4=CC=CC=C4OC

DOS

IR

Vibrations