Geometry & MOs

Info

ID:	44014
PubChem CID:	10322901
Reduced:	N2O7C26H28 (1)
Stoich.:	A2B7C26D28 (1)
Weight, g/mol:	480.189651
ΔH_f, kcal/mol:	-250.61
Dipole, Da:	6.39
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3S)-4-[(4-methyl-2-oxochromen-7-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C[C@@H](C2=O)NC(=O)C3=CC(=C(C=C3)OC)OC4CCCC4

DOS

IR

Vibrations