Geometry & MOs

Info

ID:	307214
PubChem CID:	125292428
Reduced:	N3O6C27H35 (1)
Stoich.:	A3B6C27D35 (1)
Weight, g/mol:	546.119379
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	5.2
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxypropanoyl]amino]-3-(5-hydroxy-2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCN1[C@@H](/C(=C(/C2=C(C(=N[C@@H]2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations