Geometry & MOs

Info

ID:	219460
PubChem CID:	85148706
Reduced:	O5N9C22H41 (1)
Stoich.:	A5B9C22D41 (1)
Weight, g/mol:	511.214092
ΔH_f, kcal/mol:	-212.84
Dipole, Da:	4.36
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-oxo-1-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C=O

DOS

IR

Vibrations