Geometry & MOs

Info

ID:	218880
PubChem CID:	85090104
Reduced:	NO8C29H31 (1)
Stoich.:	AB8C29D31 (1)
Weight, g/mol:	521.273715
ΔH_f, kcal/mol:	-284.0
Dipole, Da:	6.09
IP(EA), eV:	-9.52(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-amino-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(=C)CC1C(OC(C(C1OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)COC(=O)C

DOS

IR

Vibrations