Geometry & MOs

Info

ID:	185941
PubChem CID:	77371512
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	663.326813
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	6.18
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6,8-diamino-5-methyl-7-[1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]-4-oxo-3,1-benzoxazin-2-yl]butanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCC(=C(C=O)C3=CC=CC=C3)N2

DOS

IR

Vibrations