Geometry & MOs

Info

ID:	186892
PubChem CID:	77501388
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	613.336315
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	5.11
IP(EA), eV:	-9.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C(C(C)O)NC(=O)C1=NC(=CN=C1)C2=CC=CC=C2

DOS

IR

Vibrations