Geometry & MOs

Info

ID:	307588
PubChem CID:	125307614
Reduced:	Cl2O2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-9.35
Dipole, Da:	5.31
IP(EA), eV:	-9.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-5-oxopyrazol-4-yl]-3-thiophen-3-ylpropanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)Cl)[C@H](C3=C4C(=NC3)C=CC=C4Cl)C(=O)O

DOS

IR

Vibrations