Geometry & MOs

Info

ID:	189322
PubChem CID:	77840379
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	656.332233
ΔH_f, kcal/mol:	22.47
Dipole, Da:	7.08
IP(EA), eV:	-9.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C2C1C(=NC=C2)C

DOS

IR

Vibrations