Geometry & MOs

Info

ID:	181633
PubChem CID:	76767830
Reduced:	N4O6C35H40 (1)
Stoich.:	A4B6C35D40 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	8.86
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[4-[[(1,4-dihydroxy-2-oxopentan-3-yl)amino]methyl]phenyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)CC(=O)C(CCCN)N)O

DOS

IR

Vibrations