Geometry & MOs

Info

ID:	184376
PubChem CID:	77153101
Reduced:	BN2O3C4H10 (1)
Stoich.:	AB2C3D4E10 (1)
Weight, g/mol:	475.206698
ΔH_f, kcal/mol:	-99.41
Dipole, Da:	8.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757107
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[2-(2-amino-2-oxoethyl)-2-(4-oxohex-2-enoyl)hydrazinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

[B](O)O.C1CNC(=O)CN1

DOS

IR

Vibrations