Geometry & MOs

Info

ID:	168949
PubChem CID:	75044209
Reduced:	BrClO2N4C27H34 (1)
Stoich.:	ABC2D4E27F34 (1)
Weight, g/mol:	567.15947
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	8.98
IP(EA), eV:	-8.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CCN(CC2)CCOC3=C(C=CC(=C3)NC(=O)C=CC4=CC=CC=C4Cl)Br

DOS

IR

Vibrations