Geometry & MOs

Info

ID:	41824
PubChem CID:	8147186
Reduced:	N4O5C18H24 (1)
Stoich.:	A4B5C18D24 (1)
Weight, g/mol:	417.187484
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	7.88
IP(EA), eV:	-9.85(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)CN1C(=O)[C@@](NC1=O)(C)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations