Geometry & MOs

Info

ID:	313276
PubChem CID:	126613316
Reduced:	NO2C13H19 (2)
Stoich.:	AB2C13D19 (2)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-190.78
Dipole, Da:	2.74
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-4-[[7-[(4-methylcyclohexa-1,5-dien-1-yl)carbamoyl]thieno[3,2-d]pyrimidin-2-yl]amino]oxan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1)C2=CC=C(C=C2)O[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NC5CCCCC5

DOS

IR

Vibrations