Geometry & MOs

Info

ID:	75256
PubChem CID:	48423246
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	393.226371
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	7.03
IP(EA), eV:	-9.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN2C=NC=N2

DOS

IR

Vibrations