Geometry & MOs

Info

ID:	242911
PubChem CID:	99214123
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-11.69
Dipole, Da:	4.18
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)NCC3=CC(=NO3)C4=CC=CC=C4)C

DOS

IR

Vibrations