Geometry & MOs

Info

ID:	302636
PubChem CID:	124385553
Reduced:	N4O5C28H42 (1)
Stoich.:	A4B5C28D42 (1)
Weight, g/mol:	428.158351
ΔH_f, kcal/mol:	-257.11
Dipole, Da:	6.81
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C(C)C)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

DOS

IR

Vibrations