Geometry & MOs

Info

ID:

414717

PubChem CID:

135087676

Reduced:

SN2O4C15H22 (1)

Stoich.:

AB2C4D15E22 (1)

Weight, g/mol:

572.238333

ΔHf, kcal/mol:

-155.44

Dipole, Da:

2.5

IP(EA), eV:

 -9.65(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations