Geometry & MOs

Info

ID:	449627
PubChem CID:	135300140
Reduced:	N2O2C19H38 (1)
Stoich.:	A2B2C19D38 (1)
Weight, g/mol:	591.118858
ΔH_f, kcal/mol:	-141.13
Dipole, Da:	3.95
IP(EA), eV:	-8.51(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenylpropanoyl]amino]-1-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCN(C)C(C)CCC(C)C1(CN(C1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations