Geometry & MOs

Info

ID:	191087
PubChem CID:	78102782
Reduced:	N2O5C31H32 (1)
Stoich.:	A2B5C31D32 (1)
Weight, g/mol:	677.346486
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	5.34
IP(EA), eV:	-8.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-acetamido-5-oxo-5-(tritylamino)pentanoyl]amino]-3-hydroxy-5-phenylpentanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCC3=CC(=C(C=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)CO)OCC=C)OC

DOS

IR

Vibrations