Geometry & MOs

Info

ID:	147754
PubChem CID:	53787412
Reduced:	O2C29H38 (1)
Stoich.:	A2B29C38 (1)
Weight, g/mol:	587.237998
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	4.02
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]carbamoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(C2=C(C1(C)C)C=C(C(=C2)CC(C)C)C(=CC3=CC=C(C=C3)C(=O)OC)C)(C)C

DOS

IR

Vibrations