Geometry & MOs

Info

ID:	397651
PubChem CID:	135030528
Reduced:	N4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	579.25154
ΔH_f, kcal/mol:	123.33
Dipole, Da:	3.28
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[(2S,3R)-4-[[2-[ethyl(methyl)amino]-1,3-benzoxazole-5-carbonyl]-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CC=CC=C2N=[N+]=[N-]

DOS

IR

Vibrations