Geometry & MOs

Info

ID:	179372
PubChem CID:	76472878
Reduced:	S2O5N7C36H47 (1)
Stoich.:	A2B5C7D36E47 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-135.4
Dipole, Da:	11.27
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(2-amino-4-methylpentanoyl)-N-(1-oxo-4-phenoxybutan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(C2=CC=CC=C2)NCC(C(CC3=CC=CC=C3)NC(=O)OCC4=NSC=C4)O

DOS

IR

Vibrations