Geometry & MOs

Info

ID:	171867
PubChem CID:	75435292
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	24.93
Dipole, Da:	2.68
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[4-(2-methylpropanoylamino)phenyl]carbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)N2CC3C2(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations