Geometry & MOs

Info

ID:	433016
PubChem CID:	135173153
Reduced:	N5O5C33H65 (1)
Stoich.:	A5B5C33D65 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-220.55
Dipole, Da:	5.9
IP(EA), eV:	-9.04(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-7-[2-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyrimidin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

CC(=O)NC1CC(N(C(C1)(C)CCC2(CC(CC(N2OC)(C)CCC3(CC(CC(N3OC)(C)C)OC)C)N)C)OC)(C)C

DOS

IR

Vibrations