Geometry & MOs

Info

ID:	41819
PubChem CID:	8147161
Reduced:	ON3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	404.179659
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	6.52
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N[C@H](C3=CC=C(C=C3)CC(C)C)C(C)C

DOS

IR

Vibrations