Geometry & MOs

Info

ID:	423157
PubChem CID:	135119029
Reduced:	SN5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	77.2
Dipole, Da:	5.32
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CSC2=N1)NC3CCN(CC3)CC4=CN=CC=C4

DOS

IR

Vibrations